3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione

C12H12N2O2 — CID 45093444

IUPAC3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(c2ncccc2C)C1=O
InChIInChI=1S/C12H12N2O2/c1-7-5-4-6-13-10(7)14-11(15)8(2)9(3)12(14)16/h4-6H,1-3H3
InChIKeySYXIETPBAVNBQC-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.60
Rot. Bonds1

About 3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione

3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione (PubChem CID 45093444) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione
PubChem CID45093444
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(c2ncccc2C)C1=O
InChIInChI=1S/C12H12N2O2/c1-7-5-4-6-13-10(7)14-11(15)8(2)9(3)12(14)16/h4-6H,1-3H3
InChIKeySYXIETPBAVNBQC-UHFFFAOYSA-N
XLogP1.60
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione (CID 45093444) is 3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione is CC1=C(C)C(=O)N(c2ncccc2C)C1=O.
What is the InChIKey of 3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione?
The InChIKey is SYXIETPBAVNBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7-5-4-6-13-10(7)14-11(15)8(2)9(3)12(14)16/h4-6H,1-3H3.
What are the key properties of 3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione?
3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione has a molecular weight of 216.24 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione is sourced from PubChem (CID 45093444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).